{ "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" [ [ -6.7846364 -4.6889559 -1.0567683 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 3.6757973 -4.8751601 2.6746798 ] [ 3.108839 9.5641161 -1.6179115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.087018591026588e-08 -7.51253558083644e-09 -1.693129477811902e-09 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 5.889276545380288e-09 -7.810867599229103e-09 4.285309478991793e-09 ] [ 4.980909204667926e-09 1.53234033402832e-08 -2.59218000117989e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7761912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.44794867215642e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6125016 1.4849293 0.3036353 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.8982258 1.1119877 1.2131857 ] [ 3.1927736 3.206438 0.3713674 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6125016e-10 1.4849293e-10 3.036353e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.8982258e-10 1.1119877e-10 1.2131857e-10 ] [ 3.1927736e-10 3.206438e-10 3.713674000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2055583 -1.0473646 -0.1270596 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.5636261 -1.077647 0.5037011 ] [ 0.6419322 2.1250116 -0.3766416 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.931517339184762e-09 -1.678063089398757e-09 -2.035719222453864e-10 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 9.030285677325474e-10 -1.726580843100198e-09 8.070181329400973e-10 ] [ 1.028488771452215e-09 3.404643932498954e-09 -6.034463709123743e-10 ] ] } "relaxed-potential-energy" { "source-value" -4.627878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.414677996602651e-19 } }