{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4899618 2.8314343 -0.5825711 ] [ -1.493698 1.0994073 -0.5523303 ] [ 2.5955326 2.7293526 -2.4246586 ] [ -1.0449205 1.1892008 -3.9552658 ] [ 0.6243568 -1.4645447 2.1230785 ] [ -2.5280773 -2.3454293 3.1713785 ] [ 3.8218016 -1.993112 1.902705 ] [ -2.4649569 -2.0463089 0.3176637 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850053475125811e-10 4.536457876166146e-09 -9.333818040636773e-10 ] [ -2.393168033852532e-09 1.761444687309028e-09 -8.849307009102102e-10 ] [ 4.158501684505268e-09 4.372904961667148e-09 -3.884731354347152e-09 ] [ -1.674147209487597e-09 1.905309734894107e-09 -6.337034446019317e-09 ] [ 1.000329876239011e-09 -2.34645929778854e-09 3.401546764847769e-09 ] [ -4.050426379005808e-09 -3.757792021158976e-09 5.081108530269968e-09 ] [ 6.123201223303815e-09 -3.193317475345007e-09 3.04846949239497e-09 ] [ -3.949296348997074e-09 -3.278548305526243e-09 5.089533576099858e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.360395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.665359863801042e-18 } }