{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.438828 2.90963 1.106787 ] [ 1.47463 4.835343 1.863436 ] [ 2.314132 3.251036 2.795551 ] [ 3.696872 4.248886 0.9164855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.38828e-11 2.90963e-10 1.106787e-10 ] [ 1.47463e-10 4.835343e-10 1.863436e-10 ] [ 2.314132e-10 3.251036e-10 2.795551e-10 ] [ 3.696872e-10 4.248886e-10 9.164855e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6528232 -3.3928918 -2.7081502 ] [ -8.3371237 19.6038906 -7.9109006 ] [ 9.4706273 -16.6790819 12.4370889 ] [ 2.5193196 0.4680831 -1.8180381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.852467930955843e-09 -5.43601191886403e-09 -4.338934936054844e-09 ] [ -1.335754467685759e-08 3.140889519604089e-08 -1.267465999079269e-08 ] [ 1.517361764437023e-08 -2.672283507658844e-08 1.992641306639119e-08 ] [ 4.036394963443208e-09 7.499517994115884e-10 -2.912818139543653e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.289488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.872517388802152e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2743578 3.0542539 0.6723434 ] [ 1.6425571 4.6204185 1.9122147 ] [ 2.4090427 3.0708761 3.6073641 ] [ 3.5985043 4.4993465 0.4903373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743578e-11 3.0542539e-10 6.723434000000001e-11 ] [ 1.6425571e-10 4.620418500000001e-10 1.9122147e-10 ] [ 2.4090427e-10 3.0708761e-10 3.6073641e-10 ] [ 3.5985043e-10 4.4993465e-10 4.903373e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.08e-05 -2.2e-06 2.76e-05 ] [ 7.4e-06 2.14e-05 -1.47e-05 ] [ -2.47e-05 -2.22e-05 -1.6e-06 ] [ -1.35e-05 3e-06 -1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.934703992064001e-14 -3.52478856576e-15 4.422007473408001e-14 ] [ 1.185610699392e-14 3.428657968511999e-14 -2.355199632576e-14 ] [ -3.957376253376001e-14 -3.556832098176e-14 -2.56348259328e-15 ] [ -2.16293843808e-14 4.8065298624e-15 -1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.1265651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.462236923142922e-18 } }