{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.03816 5.633581 5.382839 5.200662 5.057492 4.939537 4.83923 4.751972 4.674755 4.605505 4.54273 4.485323 4.432436 4.383411 4.337722 4.294942 4.254724 4.216778 4.180861 4.146768 4.114321 4.083369 4.05378 4.02544 3.996789 3.967265 3.936811 3.905368 3.872869 3.839241 3.804402 3.768262 3.730721 3.691664 3.650965 3.608479 3.564043 3.517467 3.468537 3.417001 3.362566 3.304886 3.24355 3.178062 3.10782 3.032078 2.949903 2.860098 2.761101 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.038160000000001e-10 5.633581e-10 5.382839e-10 5.200662000000001e-10 5.057492e-10 4.939537e-10 4.839229999999999e-10 4.751972e-10 4.674755e-10 4.6055050000000003e-10 4.54273e-10 4.485323e-10 4.432436e-10 4.383411e-10 4.337722e-10 4.294942e-10 4.2547240000000007e-10 4.216778e-10 4.1808610000000005e-10 4.1467679999999997e-10 4.1143210000000004e-10 4.0833690000000005e-10 4.05378e-10 4.0254399999999997e-10 3.996789e-10 3.967265e-10 3.936811e-10 3.9053680000000004e-10 3.872869e-10 3.839241e-10 3.8044020000000004e-10 3.768262e-10 3.7307210000000003e-10 3.691664e-10 3.650965e-10 3.608479e-10 3.564043e-10 3.517467e-10 3.468537e-10 3.417001e-10 3.3625660000000004e-10 3.3048860000000003e-10 3.24355e-10 3.1780620000000004e-10 3.10782e-10 3.032078e-10 2.949903e-10 2.860098e-10 2.761101e-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" [ -0.116374 -0.206176 -0.245686 -0.213438 -0.113492 0.0365268 0.217058 0.417096 0.618045 0.815135 1.00414 1.18365 1.3529 1.50932 1.65402 1.78811 1.9114 2.0233 2.12309 2.21004 2.28361 2.34373 2.39287 2.43019 2.36335 2.27187 2.17761 2.07606 1.96607 1.84661 1.7165 1.57438 1.41867 1.2475 1.05861 0.849329 0.616262 0.354978 0.062562 -0.270804 -0.657278 -1.11481 -1.66896 -2.35134 -3.19507 -4.2394 -5.54239 -7.18489 -9.28644 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.86451703605116e-20 -3.30330369691584e-20 -3.936323685009239e-20 -3.4196537640769195e-20 -1.8183423054592797e-20 5.852238547479119e-21 3.47765255822772e-20 6.68261465334864e-20 9.902172577605298e-20 1.30599025055559e-19 1.60880964526476e-19 1.8964163728341e-19 2.1675847681386e-19 2.41819723722888e-19 2.65003219616868e-19 2.86486806102174e-19 3.0624004182275996e-19 3.2416839835721996e-19 3.4015651898790595e-19 3.5408744482053596e-19 3.6587465831687394e-19 3.75506944240482e-19 3.8338004021995794e-19 3.89359363418046e-19 3.7865041479639e-19 3.6399370294855797e-19 3.48891585996474e-19 3.3262148227820396e-19 3.14999141480838e-19 2.95859539411074e-19 2.750136192261e-19 2.5224348490369196e-19 2.27295992535678e-19 1.998715350915e-19 1.69608020651874e-19 1.3607750783785858e-19 9.873605768221079e-20 5.68737457184052e-20 1.00235374576308e-20 -4.3387584119373595e-20 -1.053075453642252e-19 -1.78612253334954e-19 -2.6739687150806397e-19 -3.76726200658956e-19 -5.11906649799438e-19 -6.792267622179599e-19 -8.87988775451526e-19 -1.151146287586026e-18 -1.487851718104296e-18 ] } }