{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 6.67023 6.2233 5.946311 5.745063 5.586907 5.456604 5.345797 5.249405 5.164105 5.087605 5.018259 4.954843 4.896421 4.842264 4.791791 4.744533 4.700105 4.658187 4.618511 4.580848 4.545005 4.510813 4.478127 4.44682 4.41517 4.382555 4.348913 4.314179 4.278278 4.241129 4.202644 4.162721 4.12125 4.078105 4.033145 3.986212 3.937124 3.885673 3.831621 3.77469 3.714557 3.650839 3.583082 3.510739 3.433144 3.349474 3.258697 3.159491 3.050131 2.928298 2.790776 2.632918 2.44765 2.22341 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.670230000000001e-10 6.223300000000001e-10 5.946311e-10 5.745063e-10 5.586907e-10 5.456604e-10 5.345797e-10 5.249405e-10 5.164105e-10 5.087605e-10 5.018258999999999e-10 4.954843000000001e-10 4.896421e-10 4.842264e-10 4.791791e-10 4.744533e-10 4.700105e-10 4.658187e-10 4.618511e-10 4.5808479999999996e-10 4.545005e-10 4.510813e-10 4.478127e-10 4.44682e-10 4.41517e-10 4.382555e-10 4.348913e-10 4.3141790000000005e-10 4.2782780000000003e-10 4.241129e-10 4.2026440000000006e-10 4.1627210000000005e-10 4.12125e-10 4.078105e-10 4.033145e-10 3.9862120000000004e-10 3.937124e-10 3.8856730000000005e-10 3.8316210000000005e-10 3.7746900000000003e-10 3.714557e-10 3.650839e-10 3.583082e-10 3.510739e-10 3.4331440000000003e-10 3.349474e-10 3.2586970000000004e-10 3.159491e-10 3.050131e-10 2.928298e-10 2.7907760000000004e-10 2.6329180000000003e-10 2.44765e-10 2.22341e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 3.47685 4.69607 5.12335 5.28593 5.36898 5.43811 5.5149 5.60482 5.70744 5.82054 5.94145 6.06748 6.19596 6.32422 6.44962 6.5696 6.68174 6.78379 6.87375 6.94989 7.01075 7.05517 7.08226 7.0914 7.08112 7.04695 6.98319 6.88311 6.73869 6.54048 6.27721 5.93541 5.49885 4.9478 4.25796 3.39914 2.33321 1.01157 -0.628288 -2.66765 -5.21283 -8.40417 -12.4291 -17.5439 -21.041 -23.3849 -26.3037 -30.0133 -34.8392 -41.314 -50.4043 -64.0594 -87.0663 -138.66 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.5705278299229e-19 7.523933625628379e-19 8.2085116578039e-19 8.468993534959619e-19 8.602054304413318e-19 8.71281277512174e-19 8.8358439188466e-19 8.97991164177588e-19 9.14432700795696e-19 9.32553318526236e-19 9.519252362079299e-19 9.72117468326232e-19 9.92702233719864e-19 1.013251751227548e-18 1.033343046217908e-18 1.05256596147264e-18 1.0705327702463158e-18 1.0868829827962858e-18 1.10129616379575e-18 1.1134951366870259e-18 1.12324598368155e-18 1.130362852289778e-18 1.1347031487912838e-18 1.13616753823476e-18 1.134520500655008e-18 1.1290458630966298e-18 1.1188303848782458e-18 1.102795801125174e-18 1.079657166176946e-18 1.0479004231144318e-18 1.005719918871114e-18 9.50957521520994e-19 8.810128983870899e-19 7.9272495497052e-19 6.822004020506639e-19 5.446022683694759e-19 3.7382145442151392e-19 1.62071381765538e-19 -1.0066283530225919e-19 -4.2740464976901e-19 -8.35187442301422e-19 -1.346496480216378e-18 -1.9913613601649397e-18 -2.81084266492326e-18 -3.3711398555993998e-18 -3.746674036842659e-18 -4.2143173527745795e-18 -4.80866079692322e-18 -5.581855218725279e-18 -6.6192325457076e-18 -8.075659171312619e-18 -1.0263447386805958e-17 -1.394955914688342e-17 -2.2215781207044e-17 ] } }