{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] "source-value" [ 5.47435 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] "source-value" [ -0.716605 5.34737 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] "source-value" [ -0.276149 -0.165536 5.69815 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.344011152579967e-09 -1.048287580461415e-08 -9.348505757690912e-09 ] [ 1.575658354678491e-09 -4.377661627809188e-09 2.534924227601928e-08 ] [ 5.215762140761612e-09 1.046319546809255e-09 9.069890768122356e-09 ] [ -5.088842515391699e-08 -6.2201665842323e-08 4.270943222602059e-08 ] [ 3.553900755830584e-08 5.248813025706174e-08 -5.661459318141984e-08 ] [ -1.243186037784082e-09 8.471035279070891e-09 4.767153968678909e-09 ] [ 1.626886109625457e-08 1.05851537933385e-08 -1.628844305913165e-08 ] [ -4.123666645501819e-09 4.471564558683627e-09 3.558227594012717e-10 ] ] "source-value" [ [ -1.4630167 -6.5428965 -5.8348784 ] [ 0.9834486 -2.7323215 15.8217527 ] [ 3.2554227 0.6530613 5.6609806 ] [ -31.762057 -38.8232265 26.6571311 ] [ 22.181704 32.7605144 -35.33605 ] [ -0.7759357 5.2872044 2.9754235 ] [ 10.1542245 6.6067334 -10.1664466 ] [ -2.5737903 2.7909311 0.2220871 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.126629731113047e-18 "source-value" -19.514888 } }