{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.694633 -20.7777472 2.7929571 ] [ -1.6056835 3.0946739 -19.8985486 ] [ -2.7619051 17.6704355 16.942082 ] [ 6.9517615 -28.0961213 7.4603388 ] [ -4.2788059 28.1087591 -7.2968294 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.715101395805322e-09 -3.328962107099892e-08 4.474810605384402e-09 ] [ -2.572588585299339e-09 4.958214212429653e-09 -3.188098961743341e-08 ] [ -4.425059816545432e-09 2.83111588707041e-08 2.714420791171198e-08 ] [ 1.113794984044079e-08 -4.50149490528897e-08 1.19527805070836e-08 ] [ -6.855402834401339e-09 4.503519704075487e-08 -1.169080956696424e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3094331 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.506649652606185e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3133731 -0.0279881 2.358113 ] [ -0.0487199 1.7469802 0.4474379 ] [ -0.0896348 2.4627264 3.1105966 ] [ 2.8123674 0.3571448 2.2930704 ] [ 2.0909302 2.6955113 1.6534562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.133731e-11 -2.79881e-12 2.358113e-10 ] [ -4.87199e-12 1.7469802e-10 4.474379e-11 ] [ -8.96348e-12 2.4627264e-10 3.1105966e-10 ] [ 2.8123674e-10 3.571448e-11 2.2930704e-10 ] [ 2.0909302e-10 2.6955113e-10 1.6534562e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 1.54e-05 1.2e-06 ] [ 1.34e-05 -1.38e-05 1.01e-05 ] [ -2.3e-06 2e-06 -6.8e-06 ] [ 2.2e-06 2e-06 -1.84e-05 ] [ -7.3e-06 -5.7e-06 1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999999e-15 2.46735201636e-14 1.9226119608e-15 ] [ 2.14691668956e-14 -2.21100375492e-14 1.61819840034e-14 ] [ -3.685006258199999e-15 3.204353268e-15 -1.08948011112e-14 ] [ 3.5247885948e-15 3.204353268e-15 -2.94800500656e-14 ] [ -1.16958894282e-14 -9.1324068138e-15 2.21100375492e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.879291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.544142900468649e-18 } }