{ "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" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.98357 4.649652 4.442704 4.292344 4.17418 4.076826 3.994038 3.92202 3.858289 3.801134 3.749323 3.701942 3.658293 3.61783 3.58012 3.544812 3.511619 3.4803 3.450656 3.422517 3.395737 3.370191 3.34577 3.32238 3.298733 3.274365 3.24923 3.223279 3.196456 3.168701 3.139947 3.110119 3.079135 3.0469 3.013309 2.978243 2.941568 2.903127 2.862743 2.820207 2.77528 2.727674 2.67705 2.623 2.565026 2.502513 2.43469 2.36057 2.278863 2.187837 2.08509 1.967149 1.828728 1.66119 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98357e-10 4.6496519999999997e-10 4.4427040000000003e-10 4.2923440000000003e-10 4.17418e-10 4.076826e-10 3.9940380000000006e-10 3.92202e-10 3.858289e-10 3.801134e-10 3.7493230000000003e-10 3.701942e-10 3.658293e-10 3.6178300000000004e-10 3.58012e-10 3.544812e-10 3.5116190000000004e-10 3.4803000000000004e-10 3.450656e-10 3.422517e-10 3.395737e-10 3.370191e-10 3.34577e-10 3.32238e-10 3.298733e-10 3.2743650000000003e-10 3.24923e-10 3.223279e-10 3.196456e-10 3.168701e-10 3.139947e-10 3.1101190000000003e-10 3.079135e-10 3.0469e-10 3.013309e-10 2.978243e-10 2.941568e-10 2.9031270000000004e-10 2.862743e-10 2.820207e-10 2.77528e-10 2.727674e-10 2.67705e-10 2.623e-10 2.565026e-10 2.502513e-10 2.43469e-10 2.3605700000000004e-10 2.2788629999999998e-10 2.187837e-10 2.0850900000000003e-10 1.9671490000000002e-10 1.828728e-10 1.66119e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0416603 1.12394 2.00589 2.79818 3.5549 4.22257 4.75871 5.17372 5.49699 5.75589 5.9697 6.15301 6.31023 6.44664 6.56542 6.66746 6.75326 6.82336 6.87941 6.9234 6.95654 6.97954 6.99296 6.9973 6.99272 6.97812 6.95167 6.91114 6.85446 6.77902 6.68117 6.55735 6.40362 6.21468 5.98267 5.69749 5.34628 4.91426 4.38164 3.72677 2.92784 1.92556 0.575134 -1.58075 -5.83668 -13.9109 -26.3551 -43.5849 -63.582 -90.8747 -148.977 -280.927 -536.567 -1043.76 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.674715922543019e-21 1.8007504060179597e-19 3.2137900883742598e-19 4.48317861372612e-19 5.6955777162066e-19 6.765302989429379e-19 7.624293969982139e-19 8.28921329485848e-19 8.80714893533166e-19 9.221952465874259e-19 9.564513851989798e-19 9.858208850768339e-19 1.011010306116582e-18 1.032865597580976e-18 1.0518962516396278e-18 1.068244862012964e-18 1.081991537532684e-18 1.093222795737024e-18 1.102202995770594e-18 1.10925097078356e-18 1.114560584148636e-18 1.118245590406836e-18 1.1203957114496639e-18 1.12109105610882e-18 1.120357259210448e-18 1.1180180813248078e-18 1.113780324127878e-18 1.1072867022302758e-18 1.098205565068764e-18 1.086118744541868e-18 1.070441446178178e-18 1.05060329509599e-18 1.025973033701508e-18 9.95701508378712e-19 9.585294082932779e-19 9.12838535044866e-19 8.565684894821519e-19 7.873512545400839e-19 7.02016122659976e-19 5.97094381429218e-19 4.69091683609056e-19 3.08508723936504e-19 9.21466256218956e-20 -2.5326407141955e-19 -9.35139231613512e-19 -2.2287718937910597e-18 -4.2225525406733396e-18 -6.98307083752266e-18 -1.01869594742988e-17 -1.455973209617598e-17 -2.38687468403418e-17 -4.50094675259718e-17 -8.59675109975478e-17 -1.67228788350384e-16 ] } }