{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.529236 -0.0114399 -4.9042748 ] [ 3.5868349 -3.1576047 5.8856383 ] [ 0.9117218 -0.2138274 -1.5340563 ] [ 7.1795066 -4.3695355 7.7953329 ] [ -2.0408721 3.8380038 -2.6856381 ] [ -0.8682689 -0.8067472 2.1074495 ] [ -4.4594076 7.3043152 -5.3715464 ] [ -3.7802788 -2.5831642 -1.2929051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.47929553071624e-10 -1.83287404752966e-11 -7.857514491275022e-09 ] [ 5.746743066795726e-09 -5.059040469748579e-09 9.429832160435482e-09 ] [ 1.460739364668421e-09 -3.425892639889716e-10 -2.457829159100494e-09 ] [ 1.150283771816878e-08 -7.000767679533505e-09 1.248950022663146e-08 ] [ -3.269837591602511e-09 6.149160009563209e-09 -4.302866611200155e-09 ] [ -1.391120143608882e-09 -1.292551513384925e-09 3.376506346234983e-09 ] [ -7.144758658202017e-09 1.170280314081103e-08 -8.606166130526817e-09 ] [ -6.056674363365559e-09 -4.138685323025302e-09 -2.071462341199433e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.740307398437523 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.196986385753926e-19 } }