{ "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" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7318243 -2.3514075 -1.1191613 ] [ -0.3539588 0.2153075 0.4000833 ] [ 0.8873818 -0.9036386 0.2185407 ] [ 2.4652119 -2.6936071 1.8898035 ] [ 1.7331894 5.7333457 -1.3892663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.581218267193326e-09 -3.767370122473776e-09 -1.793094069764135e-09 ] [ -5.67104514086423e-10 3.44960642782896e-10 6.410041096325126e-10 ] [ 1.421742373683422e-09 -1.447788638572443e-09 3.501408002332666e-10 ] [ 3.949704871497948e-09 -4.315634321240888e-09 3.027798985606013e-09 ] [ 2.77687553609838e-09 9.185832439504212e-09 -2.225849985925319e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1906875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.31229280207788e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.267607 1.1689635 0.1025514 ] [ 2.1402105 2.4487679 3.0523969 ] [ 1.1902811 3.405934 1.0365155 ] [ 3.3948331 1.4490924 1.2333638 ] [ 3.4698659 3.6648192 0.2498881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.267607e-10 1.1689635e-10 1.025514e-11 ] [ 2.1402105e-10 2.4487679e-10 3.0523969e-10 ] [ 1.1902811e-10 3.405934e-10 1.0365155e-10 ] [ 3.3948331e-10 1.4490924e-10 1.2333638e-10 ] [ 3.4698659e-10 3.6648192e-10 2.498881e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -0.0 -2.5e-06 ] [ -3.7e-06 -5.7e-06 9e-06 ] [ -1.06e-05 1.21e-05 -1.1e-06 ] [ 1.42e-05 -1.52e-05 7.7e-06 ] [ 2.3e-06 8.9e-06 -1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 0.0 -4.005441552e-15 ] [ -5.928053496960001e-15 -9.13240673856e-15 1.44195895872e-14 ] [ -1.698307218048e-14 1.938633711168e-14 -1.76239428288e-15 ] [ 2.275090801536e-14 -2.435308463616e-14 1.233675998016e-14 ] [ 3.68500622784e-15 1.425937192512e-14 -2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.415273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.668710689984948e-18 } }