{ "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" [ [ 0.5596846 0.2336263 5.460235 ] [ -2.631662 3.1528228 -5.594769 ] [ -0.4582134 0.0273885 1.9424356 ] [ -7.9135061 4.749891 -9.4130897 ] [ 1.2686275 -2.8657365 2.8623787 ] [ 0.1056661 1.1297029 -2.9216007 ] [ 6.040763 -8.7450452 7.4637034 ] [ 3.0286404 2.3173503 0.2007068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.967135885296363e-10 3.743105989478742e-10 8.748260933148989e-09 ] [ -4.216387364985707e-09 5.051379021302455e-09 -8.963808164427546e-09 ] [ -7.341388028656955e-10 4.3881214740309e-11 3.11212493136977e-09 ] [ -1.267883456643647e-08 7.610164374246892e-09 -1.508143237108607e-08 ] [ 2.032565337749835e-09 -4.591416059500941e-09 4.586036270799295e-09 ] [ 1.692957564259074e-10 1.809983589742039e-09 -4.680920375418044e-09 ] [ 9.678369330131742e-09 -1.401110708271386e-08 1.195817119058635e-08 ] [ 4.852416881668413e-09 3.71280450345289e-09 3.215677452449112e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.446424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.717837248765681e-18 } }