{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.9672555e-10 6.623768e-11 2.2580589e-10 ] [ 2.2749873e-10 3.1778394e-10 2.6392024e-10 ] [ 4.1920522e-10 1.5589509e-10 3.1603368e-10 ] ] "source-value" [ [ 1.9672555 0.6623768 2.2580589 ] [ 2.2749873 3.1778394 2.6392024 ] [ 4.1920522 1.5589509 3.1603368 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 4.96674752448e-14 -3.156287942976e-14 1.457980724928e-14 ] [ -3.604897396800001e-14 9.036276141312001e-14 -3.36457090368e-15 ] [ -1.377871893888e-14 -5.863966432128e-14 -1.12152363456e-14 ] ] "source-value" [ [ 3.1e-05 -1.97e-05 9.1e-06 ] [ -2.25e-05 5.64e-05 -2.1e-06 ] [ -8.6e-06 -3.66e-05 -7e-06 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -7.115695916524838e-19 "source-value" -4.4412681 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.366888011846444e-09 -4.995324106906251e-09 -1.030755842897142e-09 ] [ -9.387466847884878e-10 5.467936890210091e-09 2.459496524060218e-10 ] [ 2.305634696634931e-09 -4.726127833038394e-10 7.848060302734578e-10 ] ] "source-value" [ [ -0.8531444 -3.1178361 -0.6433472 ] [ -0.5859196 3.4128178 0.1535097 ] [ 1.439064 -0.2949817 0.4898374 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.301031081875502e-19 "source-value" -3.9327943 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.098174e-10 9.493022e-11 2.336254e-10 ] [ 2.079783e-10 3.107745e-10 2.560955e-10 ] [ 4.256338e-10 1.34212e-10 3.160389e-10 ] ] "source-value" [ [ 2.098174 0.9493022 2.336254 ] [ 2.079783 3.107745 2.560955 ] [ 4.256338 1.34212 3.160389 ] ] } "instance-id" 1 }