{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.10873000000000002 -0.8515806000000002 0.32524330000000007 ] [ -0.6869613000000001 0.4906878000000001 0.9498509000000003 ] [ -0.008651700000000002 0.15646890000000002 -0.8696955000000002 ] [ -0.22998420000000006 1.4331254000000002 -1.1517643000000002 ] [ -0.31301140000000005 -0.25293570000000004 0.32169860000000006 ] [ -1.5341304000000004 0.22535610000000006 -0.015791800000000005 ] [ 0.7143862000000001 -1.6296271000000004 -1.0200816000000001 ] [ 1.9496228000000004 0.4285052000000001 1.4605403000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.742046639795841e-10 -1.364382528046837e-09 5.210972113318408e-10 ] [ -1.100633334254375e-09 7.861685212717864e-10 1.521828905225839e-09 ] [ -1.386155147017536e-11 2.506908134622932e-10 -1.393405797314967e-09 ] [ -3.684753083933915e-10 2.296120010554649e-09 -1.845329834132078e-09 ] [ -5.014995471238772e-10 -4.052476651056827e-10 5.15417975864091e-10 ] [ -2.457947860138553e-09 3.61060274774667e-10 -2.530125276034945e-11 ] [ 1.144572867862153e-09 -2.610950440242104e-09 -1.634350890828257e-09 ] [ 3.123640069538635e-09 6.865410133312283e-10 2.340043522396218e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.034499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530315914884098e-18 } }