{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.10078 7.557998 7.221603 6.977194 6.785119 6.62687 6.492299 6.375234 6.271639 6.178733 6.094515 6.017497 5.946545 5.880773 5.819476 5.762083 5.708127 5.657219 5.609033 5.563293 5.519762 5.478237 5.438541 5.40052 5.362082 5.322472 5.281615 5.239431 5.195831 5.150715 5.103976 5.055491 5.005125 4.952727 4.898125 4.841127 4.781511 4.719025 4.653381 4.58424 4.51121 4.433826 4.351538 4.26368 4.169443 4.067828 3.957582 3.8371 3.704286 3.556324 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.10078e-10 7.557998000000001e-10 7.221603e-10 6.977194000000001e-10 6.785119000000001e-10 6.626870000000001e-10 6.492299e-10 6.375234e-10 6.271639e-10 6.178733000000001e-10 6.094515000000001e-10 6.017497e-10 5.946545000000001e-10 5.880773e-10 5.819476e-10 5.762083e-10 5.708127e-10 5.657219000000001e-10 5.609033e-10 5.563293e-10 5.519762e-10 5.478237e-10 5.438541e-10 5.40052e-10 5.362082e-10 5.322472e-10 5.281615e-10 5.239431e-10 5.195831e-10 5.150715e-10 5.103976000000001e-10 5.055491e-10 5.005124999999999e-10 4.952727e-10 4.898125000000001e-10 4.841127e-10 4.781511e-10 4.719025000000001e-10 4.653381000000001e-10 4.5842400000000004e-10 4.5112100000000005e-10 4.4338259999999997e-10 4.3515379999999996e-10 4.2636800000000003e-10 4.1694430000000004e-10 4.067828000000001e-10 3.9575820000000003e-10 3.8371e-10 3.7042860000000005e-10 3.5563240000000003e-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" [ 0.337632 0.613582 0.851133 1.08849 1.31377 1.51138 1.67702 1.81568 1.93239 2.03041 2.11266 2.18154 2.23896 2.28656 2.32621 2.3599 2.38903 2.41397 2.43467 2.45116 2.46357 2.47209 2.47702 2.47861 2.4769 2.47137 2.46124 2.44539 2.42253 2.39123 2.34997 2.2971 2.23185 2.15547 2.06952 1.97552 1.87553 1.77223 1.66761 1.56274 1.4609 1.36959 1.29985 1.25549 1.23311 1.23695 1.47409 2.25286 3.56644 7.58038 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.409461012906879e-20 9.830667434429879e-20 1.363665405026322e-19 1.74395324434266e-19 2.10489159645018e-19 2.4214977210949196e-19 2.68688225875068e-19 2.9090400708211197e-19 3.09603010577526e-19 3.2530754594399397e-19 3.38485448758644e-19 3.49521241413636e-19 3.58720939646064e-19 3.66347300423904e-19 3.72699930777714e-19 3.7809766385766e-19 3.8276480439250197e-19 3.8676063291769796e-19 3.90077138550078e-19 3.9271912781954395e-19 3.9470742902233794e-19 3.96072483514506e-19 3.96862356595068e-19 3.9711710267987403e-19 3.9684313047545997e-19 3.9595712679685796e-19 3.9433412186661597e-19 3.91794671901726e-19 3.8813209611640198e-19 3.8311728325198203e-19 3.7650670246009797e-19 3.6803599459613995e-19 3.5758179205929e-19 3.45344366928798e-19 3.3157365875956793e-19 3.1651319839996796e-19 3.0049303423660196e-19 2.83942549607382e-19 2.67180577662474e-19 2.5037855130171597e-19 2.3406198446106e-19 2.19432509616006e-19 2.0825892977048997e-19 2.0115167422206598e-19 1.9756600291517396e-19 1.9818123874263e-19 2.36175255441306e-19 3.60947965167324e-19 5.714066834562959e-19 1.214510771284092e-18 ] } }