{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.41264 5.049974 4.825208 4.661903 4.533566 4.42783 4.337915 4.259696 4.190479 4.128402 4.072131 4.02067 3.973263 3.929317 3.88836 3.850013 3.813961 3.779946 3.74775 3.717188 3.688103 3.660358 3.633834 3.60843 3.582747 3.556281 3.528982 3.500796 3.471664 3.441519 3.410289 3.377894 3.344241 3.30923 3.272747 3.234663 3.194829 3.153079 3.109217 3.06302 3.014224 2.962519 2.907536 2.848833 2.785867 2.717972 2.644309 2.563807 2.475065 2.376202 2.264608 2.136512 1.986173 1.80421 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41264e-10 5.049974e-10 4.825208000000001e-10 4.661903e-10 4.533566000000001e-10 4.42783e-10 4.3379149999999997e-10 4.259696e-10 4.190479e-10 4.1284020000000006e-10 4.072131e-10 4.02067e-10 3.973263e-10 3.9293170000000003e-10 3.8883600000000004e-10 3.850013e-10 3.813961e-10 3.7799459999999997e-10 3.74775e-10 3.717188e-10 3.688103e-10 3.660358e-10 3.633834e-10 3.60843e-10 3.582747e-10 3.556281e-10 3.5289820000000004e-10 3.5007959999999997e-10 3.4716640000000004e-10 3.4415190000000003e-10 3.410289e-10 3.377894e-10 3.344241e-10 3.30923e-10 3.272747e-10 3.234663e-10 3.194829e-10 3.153079e-10 3.109217e-10 3.06302e-10 3.014224e-10 2.962519e-10 2.907536e-10 2.848833e-10 2.785867e-10 2.717972e-10 2.644309e-10 2.563807e-10 2.475065e-10 2.376202e-10 2.264608e-10 2.1365120000000003e-10 1.986173e-10 1.8042100000000002e-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" [ 1.14022 1.66663 2.05633 2.37469 2.64279 2.87264 3.07194 3.246 3.39868 3.53292 3.65099 3.75472 3.84591 3.92622 3.99579 4.05534 4.10576 4.14783 4.18219 4.2094 4.22991 4.24413 4.25242 4.25511 4.25222 4.2429 4.22602 4.20026 4.16406 4.11554 4.05245 3.97209 3.87118 3.74571 3.59079 3.40035 3.16686 2.88085 2.53032 2.09994 1.56981 0.913891 0.0975118 -0.926114 -2.22146 -3.88056 -6.04714 -8.96376 -13.0714 -19.242 -29.3714 -48.052 -87.8342 -187.548 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.82683384161948e-19 2.67023564352342e-19 3.2946038777932195e-19 3.80467283099346e-19 4.23421638656886e-19 4.60247668589376e-19 4.92179048904996e-19 5.200665353964e-19 5.44528568244312e-19 5.660361873791279e-19 5.84953086896766e-19 6.01572465121248e-19 6.161827138466939e-19 6.290497943943479e-19 6.40196137237086e-19 6.49737099092556e-19 6.57815273681184e-19 6.645556307804219e-19 6.70060709694846e-19 6.744202323159599e-19 6.77706296592294e-19 6.79984591765842e-19 6.813127961954279e-19 6.817437817099739e-19 6.81280752662748e-19 6.797875240398599e-19 6.7708304988166795e-19 6.72955842872484e-19 6.67155963457404e-19 6.59382202429236e-19 6.4927407004533e-19 6.36398978614506e-19 6.20231414200812e-19 6.00128903974014e-19 5.753079835600859e-19 5.4479613174219e-19 5.07386909514924e-19 4.6156305560589e-19 4.05401958054288e-19 3.36447480080196e-19 2.5151129018195396e-19 1.464214806222894e-19 1.562311274992812e-20 -1.4837982112202759e-19 -3.5591713053656397e-19 -6.21734255883504e-19 -9.688586410526759e-19 -1.436152682478384e-18 -2.09426916536676e-18 -3.0829082791428e-18 -4.70581707878676e-18 -7.6987791616968e-18 -1.407259029060828e-17 -3.0048502335343197e-17 ] } }