{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5261001 0.4154054 0.0579663 ] [ 0.3089741 0.034892 -0.8359764 ] [ -0.028008 0.035861 -0.3739497 ] [ 0.7738728 -0.2896124 0.4659832 ] [ -0.6448463 -0.0753691 -0.0803867 ] [ 0.2148095 -0.4804347 1.391668 ] [ -0.0994754 0.6058962 0.5995725 ] [ 0.0007734 -0.2466384 -1.224877 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.42905280420542e-10 6.655528200340723e-10 9.287225065427905e-11 ] [ 4.950310794527212e-10 5.59031466529536e-11 -1.339381843620549e-09 ] [ -4.48737627953664e-11 5.745565579850879e-11 -5.991334666951738e-10 ] [ 1.239880907633034e-09 -4.640102163737779e-10 7.465873887255706e-10 ] [ -1.033157665869383e-09 -1.207546099507373e-10 -1.287936913632634e-10 ] [ 3.441627588257376e-10 -7.697412441610617e-10 2.229697933515494e-09 ] [ -1.593771602247283e-10 9.707527262715609e-10 9.60621041974608e-10 ] [ 1.23912339852672e-12 -3.951582782715187e-10 -1.962469292755642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.564286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.416285459824475e-18 } }