{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2124859 -1.8678517 -4.2986468 ] [ -6.2265577 -4.4820928 -0.2926319 ] [ -3.7691738 4.2881245 1.3788274 ] [ -1.8905922 -7.0505041 -1.1252903 ] [ 5.2653633 3.9168793 -2.2822937 ] [ 3.5787392 0.4717005 3.8442911 ] [ 3.2547072 4.7237444 2.7757441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.404399412296467e-10 -2.992628324861535e-09 -6.887191404036735e-09 ] [ -9.976045175002219e-09 -7.181104296416011e-09 -4.688479886802835e-10 ] [ -6.038882142091895e-09 6.87033282097969e-09 2.20912502439845e-09 ] [ -3.029062622306838e-09 -1.129615283387455e-08 -1.802913810273018e-09 ] [ 8.436041979278335e-09 6.27553244095547e-09 -3.656637607939129e-09 ] [ 5.733772278180495e-09 7.557475131196705e-10 6.159233323969515e-09 ] [ 5.21461578338943e-09 7.568272840314925e-09 4.447232302343536e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.553826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.171562313959118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8929127 2.0062921 0.7617672 ] [ 1.7761754 0.8318297 3.8782862 ] [ 1.9741894 2.998343 2.7860565 ] [ 3.8131137 0.2381343 2.4048125 ] [ 5.1991312 2.3005556 1.6990569 ] [ 4.0823935 1.1261033 4.8155686 ] [ 4.2286751 3.2860168 3.7023151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8929127e-10 2.0062921e-10 7.617672e-11 ] [ 1.7761754e-10 8.318297e-11 3.8782862e-10 ] [ 1.9741894e-10 2.998343e-10 2.7860565e-10 ] [ 3.813113700000001e-10 2.381343e-11 2.4048125e-10 ] [ 5.199131200000001e-10 2.3005556e-10 1.6990569e-10 ] [ 4.0823935e-10 1.1261033e-10 4.8155686e-10 ] [ 4.2286751e-10 3.2860168e-10 3.7023151e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.13e-05 -6.9e-06 1.72e-05 ] [ -1.19e-05 -2.6e-06 9.4e-06 ] [ -2e-06 1.9e-06 -1.11e-05 ] [ 6e-07 7.6e-06 1e-07 ] [ -4.3e-06 1.36e-05 -7.7e-06 ] [ -2.2e-06 -9.1e-06 -2.5e-06 ] [ 8.6e-06 -4.5e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.810459581504e-14 -1.105501868352e-14 2.755743787776e-14 ] [ -1.906590178752e-14 -4.16565921408e-15 1.506046023552e-14 ] [ -3.2043532416e-15 3.04413557952e-15 -1.778416049088e-14 ] [ 9.6130597248e-16 1.217654231808e-14 1.6021766208e-16 ] [ -6.889359469440001e-15 2.178960204288e-14 -1.233675998016e-14 ] [ -3.52478856576e-15 -1.457980724928e-14 -4.005441552e-15 ] [ 1.377871893888e-14 -7.2097947936e-15 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.72791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.840324293764653e-18 } }