{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6317051999999999 -0.12940489999999996 0.24306849999999997 ] [ 1.0150897999999997 0.8845768999999999 -1.9948292999999997 ] [ -2.4545314999999994 0.29370779999999996 -1.3551917999999998 ] [ 0.40823649999999995 1.8872890999999998 0.23482209999999998 ] [ 0.08818639999999998 0.19089639999999997 1.7985287999999997 ] [ -0.6493145999999999 -0.32073189999999996 -0.26757139999999996 ] [ 1.2418331999999999 -1.8630470999999997 1.7335223999999998 ] [ 0.9822054999999998 -0.9432862999999999 -0.39234939999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.012103311016296e-09 -2.073295071051065e-10 3.894386711614289e-10 ] [ 1.626353158971732e-09 1.417248440156154e-09 -3.196068893278575e-09 ] [ -3.932593016716969e-09 4.705717743835451e-10 -2.171256636548401e-09 ] [ 6.540669814459409e-10 3.023770497622888e-09 3.762264817668113e-10 ] [ 1.412901895165776e-10 3.058497515947175e-10 2.881560818936058e-09 ] [ -1.040316680235056e-09 -5.138691559584245e-10 -4.286966450066675e-10 ] [ 1.989636136365449e-09 -2.984930531661461e-09 2.777409083795601e-09 ] [ 1.573666701886287e-09 -1.511311269032314e-09 -6.286130410439196e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.00453 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.768561668415202e-18 } }