{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.02204 0.1338571 2.452734 ] [ -0.5297753 -0.6299778 -0.3082204 ] [ 1.9423567 1.806266 0.7158545 ] [ -2.1282275 0.8950499 -4.218959 ] [ 0.231232 0.0290353 -0.3701948 ] [ -2.8555102 0.9289488 -0.8940834 ] [ 3.9356717 -2.6714234 2.1144654 ] [ -2.6177875 -0.4917559 0.5084037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.23966524101336e-09 2.144627179150014e-10 3.929713104217355e-09 ] [ -8.487936069303401e-10 -1.009335711098725e-09 -4.938235230021336e-10 ] [ 3.111998519633348e-09 2.893957179988643e-09 1.146925353243753e-09 ] [ -3.409796372336234e-09 1.434028036044036e-09 -6.759517529604005e-09 ] [ 3.704745074330879e-10 4.651967922118019e-11 -5.93117458588303e-10 ] [ -4.575031720588666e-09 1.488340061542339e-09 -1.432479532327275e-09 ] [ 6.305641236835057e-09 -4.280092151000835e-09 3.387747057281463e-09 ] [ -4.194157965277274e-09 -7.878798126116406e-10 8.145525287791457e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.702707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720204292594823e-18 } }