{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.49247 5.124455 4.896374 4.730661 4.60043 4.493135 4.401894 4.322522 4.252283 4.189291 4.13219 4.079971 4.031864 3.98727 3.945709 3.906796 3.870212 3.835696 3.803025 3.772013 3.742498 3.714343 3.687429 3.66165 3.635588 3.608732 3.58103 3.552429 3.522867 3.492277 3.460587 3.427713 3.393565 3.358038 3.321016 3.28237 3.241949 3.199583 3.155075 3.108196 3.05868 3.006213 2.950419 2.89085 2.826955 2.758059 2.683309 2.60162 2.51157 2.411248 2.298008 2.168023 2.015467 1.83082 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.49247e-10 5.124455e-10 4.896374e-10 4.730661e-10 4.60043e-10 4.493135e-10 4.401894000000001e-10 4.322522e-10 4.2522830000000007e-10 4.189291e-10 4.13219e-10 4.079971e-10 4.0318639999999997e-10 3.98727e-10 3.945709e-10 3.906796e-10 3.870212e-10 3.8356960000000003e-10 3.803025e-10 3.772013e-10 3.742498e-10 3.714343e-10 3.687429e-10 3.66165e-10 3.635588e-10 3.608732e-10 3.58103e-10 3.552429e-10 3.522867e-10 3.4922770000000003e-10 3.460587e-10 3.427713e-10 3.3935650000000003e-10 3.3580380000000004e-10 3.321016e-10 3.2823699999999997e-10 3.241949e-10 3.1995830000000003e-10 3.155075e-10 3.108196e-10 3.05868e-10 3.006213e-10 2.9504190000000003e-10 2.89085e-10 2.826955e-10 2.758059e-10 2.683309e-10 2.6016200000000003e-10 2.51157e-10 2.411248e-10 2.298008e-10 2.168023e-10 2.0154670000000003e-10 1.83082e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 2.18765 2.33926 2.47311 2.59173 2.69706 2.79057 2.87348 2.94676 3.01121 3.06754 3.11632 3.15806 3.19319 3.22211 3.24516 3.26265 3.27485 3.28201 3.28434 3.28182 3.27361 2.81095 2.65912 2.48146 2.2736 2.03031 1.74521 1.41058 1.01693 0.552543 0.00290957 -0.650255 -1.73956 -2.72078 -3.90521 -5.34531 -7.11089 -9.29641 -12.0317 -15.4993 -19.9615 -25.806 -34.3685 -47.4855 -63.8681 -88.1675 -126.807 -199.634 -329.45 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 3.5050017133701e-19 3.7479077128508395e-19 3.96235905531174e-19 4.15240924763682e-19 4.32116651249604e-19 4.47098604954138e-19 4.603822514266319e-19 4.72123001800584e-19 4.8244903020671395e-19 4.91474091186036e-19 4.9928950880668795e-19 5.059769940770039e-19 5.116054405922459e-19 5.16238935417774e-19 5.199319525591439e-19 5.227341594920099e-19 5.2468881498549e-19 5.25835973455434e-19 5.262092806111559e-19 5.25805532099388e-19 5.24490145082874e-19 4.5036384093423e-19 4.26037993100208e-19 3.97573723020564e-19 3.6427087950623997e-19 3.25291524177654e-19 2.7961346834231396e-19 2.25999831638772e-19 1.6293014844136197e-19 8.85271483880262e-20 4.66164506898738e-22 -1.04182336714167e-19 -2.78708238544104e-19 -4.35917014225452e-19 -6.256836212863139e-19 -8.564130783486538e-19 -1.139290180494426e-18 -1.4894490882083939e-18 -1.92769086072978e-18 -2.48326163033562e-18 -3.1981848879591e-18 -4.1345770217004e-18 -5.506440764562899e-18 -7.6080158553807e-18 -1.023279774779754e-17 -1.41259908378195e-17 -2.03167212427638e-17 -3.1984893015195595e-17 -5.2783709207129995e-17 ] } }