{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6307020999999999 -1.4099947999999998 1.8718065999999998 ] [ 0.6093782999999999 -1.5827213999999998 -3.4061416999999996 ] [ -0.35195899999999997 0.5791458999999999 2.8026254999999995 ] [ -0.6938077999999999 0.8561193999999999 -0.39447229999999994 ] [ -0.6630454999999998 -3.0441462999999995 -2.4753943999999994 ] [ 2.7074826999999995 3.1012834999999996 1.8027165999999997 ] [ -0.33570979999999995 -1.4784310999999999 0.8153370999999999 ] [ -0.6416366999999998 2.9787448999999997 -1.0164773999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.010496159309464e-09 -2.259060704009572e-09 2.998964773179137e-09 ] [ 9.763316654828484e-10 -2.535799224319845e-09 -5.457240598871967e-09 ] [ -5.639004812801472e-10 9.278940210121745e-10 4.49030105295791e-09 ] [ -1.111602636488682e-09 1.371654487293323e-09 -6.320142966132038e-10 ] [ -1.062315998626646e-09 -4.877260032154823e-09 -3.966019034939243e-09 ] [ 4.337865483160459e-09 4.968803918172797e-09 2.888270390448065e-09 ] [ -5.378663929334438e-10 -2.368707743883627e-09 1.306314039690871e-09 ] [ -1.028015319787263e-09 4.772475438107234e-09 -1.62857632585157e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.336046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.341023353111337e-18 } }