{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" [ 3.98016 3.713475 3.548194 3.428108 3.333736 3.255983 3.189864 3.132347 3.081448 3.0358 2.994421 2.95658 2.921719 2.889403 2.859286 2.831087 2.804577 2.779564 2.755889 2.733415 2.712027 2.691625 2.672121 2.65344 2.640722 2.627338 2.613212 2.598258 2.582373 2.565434 2.54729 2.527756 2.506602 2.483536 2.458175 2.430013 2.398354 2.362204 2.320074 2.269588 2.206587 2.12275 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.98016e-10 3.713475e-10 3.5481940000000004e-10 3.428108e-10 3.333736e-10 3.255983e-10 3.189864e-10 3.132347e-10 3.081448e-10 3.0358e-10 2.994421e-10 2.95658e-10 2.921719e-10 2.8894030000000003e-10 2.8592860000000003e-10 2.831087e-10 2.804577e-10 2.7795640000000003e-10 2.755889e-10 2.733415e-10 2.712027e-10 2.691625e-10 2.6721210000000005e-10 2.6534399999999997e-10 2.640722e-10 2.627338e-10 2.613212e-10 2.5982580000000003e-10 2.582373e-10 2.565434e-10 2.54729e-10 2.527756e-10 2.506602e-10 2.483536e-10 2.458175e-10 2.4300130000000004e-10 2.398354e-10 2.362204e-10 2.320074e-10 2.2695880000000002e-10 2.206587e-10 2.12275e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 5.15179 5.7548 6.02212 6.28678 6.52555 6.70841 6.83025 6.9071 6.97287 7.05112 7.14962 7.26768 7.40021 7.54041 7.68154 7.8178 7.94464 8.05865 8.15744 8.23943 8.30363 8.34952 8.37694 8.386 8.38156 8.36691 8.33971 8.2971 8.23546 8.15021 8.03532 7.8827 7.68121 7.41513 7.06154 6.5866 5.94145 5.05883 3.84832 2.17655 -0.258038 -4.44005 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.254077493271232e-19 9.22020601737984e-19 9.648499871652097e-19 1.0072531936113024e-18 1.045508364786144e-18 1.0748057664740929e-18 1.09432668642192e-18 1.106639413752768e-18 1.1171769293877698e-18 1.1297139614455297e-18 1.1454954011604096e-18 1.1644106983455744e-18 1.185644345101037e-18 1.2081068613246527e-18 1.2307183799740034e-18 1.252549638609024e-18 1.2728716468672512e-18 1.291138062520992e-18 1.3069659653578752e-18 1.3201022114718145e-18 1.3303881853773505e-18 1.3377405738902017e-18 1.3421337421844352e-18 1.34358531420288e-18 1.342873947783245e-18 1.340526759033773e-18 1.336168838625197e-18 1.3293419640439682e-18 1.3194661473533569e-18 1.3058075916610367e-18 1.2874001844646658e-18 1.262947764878016e-18 1.230665508145517e-18 1.1880347926192706e-18 1.1313834294844033e-18 1.055289653056128e-18 9.51925228365216e-19 8.105139154601665e-19 6.165688333357056e-19 3.4872175240022404e-19 -4.134224508779904e-20 -7.113744305183041e-19 ] } }