{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.8279584 0.4783422 -1.3769948999999997 ] [ -0.9486639 -2.3216806 0.8229947999999999 ] [ 1.0197313 0.7210519 2.2831351999999994 ] [ -5.8165205 -5.0649909 5.468121499999999 ] [ 4.0595704 6.2101814 -3.0064144999999995 ] [ -3.5899293 1.8094384 -3.0049411999999998 ] [ -0.6781758 -0.6981062 -4.560621199999999 ] [ -1.8739706 -1.1342363 3.3747202999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.254177204040402e-08 7.663886958961547e-10 -2.206189053917166e-09 ] [ -1.519927134099312e-09 -3.7197424089311e-09 1.318583038463503e-09 ] [ 1.633789661818444e-09 1.155252506081304e-09 3.657985869702915e-09 ] [ -9.319093236281997e-09 -8.11501007140263e-09 8.760896499173028e-09 ] [ 6.504148838958033e-09 9.949807531981406e-09 -4.816807064018791e-09 ] [ -5.751700842171976e-09 2.899039925142345e-09 -4.81444657718392e-09 ] [ -1.086557420504257e-09 -1.118489441690531e-09 -7.306920723165038e-09 ] [ -3.00243190812296e-09 -1.817246897294614e-09 5.406898010945469e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.476345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.523719438472273e-18 } }