{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.7247638 6.7922598 -38.8886026 ] [ -15.3349746 -17.990932 37.617108 ] [ -3.4229692 4.5337697 -42.2467921 ] [ 55.2640769 -10.4172076 29.0644818 ] [ -43.230897 17.0821102 14.4538049 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.077425934076217e-08 1.088239985395968e-08 -6.23064099013021e-08 ] [ -2.456933778468183e-08 -2.882465063680259e-08 6.026925097970866e-08 ] [ -5.48420122595848e-09 7.263899817431429e-09 -6.768682260641814e-08 ] [ 8.854281197927334e-08 -1.669020647074008e-08 4.65664332356271e-08 ] [ -6.926353246961285e-08 2.736855759636921e-08 2.315754829238448e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.683674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.153672229424882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.830864 0.5479138 0.5164059 ] [ 0.1832325 0.7827328 2.7797886 ] [ 2.711199 1.9381255 0.1589917 ] [ 3.2273748 2.9882002 2.2154055 ] [ 1.4004785 2.6062863 3.6705173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.308640000000001e-11 5.479138e-11 5.164059e-11 ] [ 1.832325e-11 7.827328e-11 2.7797886e-10 ] [ 2.711199e-10 1.9381255e-10 1.589917e-11 ] [ 3.2273748e-10 2.9882002e-10 2.2154055e-10 ] [ 1.4004785e-10 2.6062863e-10 3.6705173e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 1.6e-06 -2.4e-06 ] [ 1e-06 4e-07 1.9e-06 ] [ -1.5e-06 -2.2e-06 7e-07 ] [ 2e-07 8e-07 5e-07 ] [ -7e-07 -6e-07 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 2.56348259328e-15 -3.84522388992e-15 ] [ 1.6021766208e-15 6.408706483200001e-16 3.04413557952e-15 ] [ -2.4032649312e-15 -3.52478856576e-15 1.12152363456e-15 ] [ 3.2043532416e-16 1.28174129664e-15 8.010883104e-16 ] [ -1.12152363456e-15 -9.6130597248e-16 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335987195579e-18 } }