{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2191969 -2.3678314 2.2156991 ] [ 2.603597 -1.0914065 -3.3419457 ] [ -2.6903449 3.0867742 2.2745094 ] [ 1.1945572 1.0243833 -0.9852203 ] [ 1.7106517 0.3950293 -0.3097483 ] [ 0.4007359 -1.046949 0.1467057 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.157722010931836e-09 -3.793684111076133e-09 3.549941296747602e-09 ] [ 4.171422243385018e-09 -1.748625978089155e-09 -5.354387268523091e-09 ] [ -4.310407700668514e-09 4.945557456928622e-09 3.644165784469836e-09 ] [ 1.91389161804831e-09 1.641242973997953e-09 -1.578496930997562e-09 ] [ 2.740766160071775e-09 6.329067089909895e-10 -4.962714845925447e-10 ] [ 6.420496900952468e-10 -1.677397210969939e-09 2.350484426780986e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.120653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.941942686542938e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9994722 1.645325 1.83912 ] [ 2.850017 0.0743639 1.0651578 ] [ 1.9280087 2.2371311 3.8960684 ] [ 1.965517 3.5588374 0.4619181 ] [ 4.0666223 2.3099649 1.1810427 ] [ 3.8689888 2.6577517 3.4796159 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.994722000000001e-11 1.645325e-10 1.83912e-10 ] [ 2.850017e-10 7.436389999999999e-12 1.0651578e-10 ] [ 1.9280087e-10 2.2371311e-10 3.8960684e-10 ] [ 1.965517e-10 3.5588374e-10 4.619181e-11 ] [ 4.0666223e-10 2.3099649e-10 1.1810427e-10 ] [ 3.8689888e-10 2.6577517e-10 3.479615900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 2.6e-06 2.1e-06 ] [ 1.39e-05 1.16e-05 4.2e-06 ] [ -8.14e-05 -1.09e-05 3.27e-05 ] [ 6e-07 4e-07 -1.89e-05 ] [ -1.5e-05 1.5e-06 -6.4e-06 ] [ 7.93e-05 -5.2e-06 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 4.16565921408e-15 3.36457090368e-15 ] [ 2.227025502912e-14 1.858524880128e-14 6.72914180736e-15 ] [ -1.3041717693312e-13 -1.746372516672e-14 5.239117550016001e-14 ] [ 9.6130597248e-16 6.408706483200001e-16 -3.028113813312e-14 ] [ -2.4032649312e-14 2.4032649312e-15 -1.025393037312e-14 ] [ 1.2705260602944e-13 -8.33131842816e-15 -2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.314433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.453642651340801e-18 } }