{ "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" [ [ 2.586158 0.6938923 0.8841089 ] [ 2.34485 2.26041 2.433738 ] [ 3.767171 2.568287 0.2210666 ] [ 4.342877 1.484782 1.999902 ] [ 4.214846 3.620834 1.934125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.586158e-10 6.938923e-11 8.841089e-11 ] [ 2.34485e-10 2.26041e-10 2.433738e-10 ] [ 3.767171e-10 2.568287e-10 2.210666e-11 ] [ 4.342877e-10 1.484782e-10 1.999902e-10 ] [ 4.214846e-10 3.620834e-10 1.934125e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9817402 -4.7105233 -3.2369293 ] [ -5.1080074 3.2049286 3.2139166 ] [ -2.0585024 0.2662328 -10.5801994 ] [ 8.0971791 -7.9080275 4.9938206 ] [ 2.051071 9.1473894 5.6093915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.777274437739516e-09 -7.547090302993665e-09 -5.18613244764251e-09 ] [ -8.183930035153394e-09 5.134861674253275e-09 5.149262037721025e-09 ] [ -3.29808441914069e-09 4.265519678501222e-10 -1.695134812208219e-08 ] [ 1.297311104845038e-08 -1.267005677714347e-08 8.00098261378943e-09 ] [ 3.286178003800876e-09 1.465573343803374e-08 8.987235918214245e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.32048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.653523177143398e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4266025 0.8868192 0.7948612 ] [ 2.3176553 2.2077796 2.8296652 ] [ 4.0620384 2.4312483 -0.1201916 ] [ 4.4965145 1.3501494 2.0539932 ] [ 3.9530913 3.7522087 1.9146124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4266025e-10 8.868192000000001e-11 7.948612000000001e-11 ] [ 2.3176553e-10 2.2077796e-10 2.8296652e-10 ] [ 4.0620384e-10 2.4312483e-10 -1.201916e-11 ] [ 4.4965145e-10 1.3501494e-10 2.0539932e-10 ] [ 3.9530913e-10 3.7522087e-10 1.9146124e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 3.3e-06 2e-06 ] [ 3.4e-06 -3e-07 -3.5e-06 ] [ -1.5e-06 -1.3e-06 4.1e-06 ] [ -4e-06 3.4e-06 -2.1e-06 ] [ -1.1e-06 -5e-06 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 5.28718284864e-15 3.2043532416e-15 ] [ 5.44740051072e-15 -4.8065298624e-16 -5.6076181728e-15 ] [ -2.4032649312e-15 -2.08282960704e-15 6.568924145279999e-15 ] [ -6.4087064832e-15 5.44740051072e-15 -3.36457090368e-15 ] [ -1.76239428288e-15 -8.010883104e-15 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786262543259e-18 } }