{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.044726400000000006 0.14467410000000003 0.5811779000000001 ] [ -0.8000911000000003 -0.4506187000000001 -0.03271980000000001 ] [ 0.21622060000000007 -0.3094411000000001 -0.18432860000000004 ] [ 0.29432840000000005 0.14743870000000003 -0.17052700000000004 ] [ -0.23960370000000006 -0.2963545000000001 0.16701350000000004 ] [ 0.13715870000000002 0.12431980000000002 0.09665700000000003 ] [ -0.08499040000000001 0.21120590000000006 -0.16121830000000004 ] [ 0.5217039000000001 0.4287759000000001 -0.29605470000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.165959241254914e-11 2.317934606552813e-10 9.311496439056406e-10 ] [ -1.281887254930155e-09 -7.219707460352891e-10 -5.242289859725185e-11 ] [ 3.464235902553486e-10 -4.95779295934635e-10 -2.953269734647949e-10 ] [ 4.715660813174708e-10 2.36222838141145e-10 -2.732143726151617e-10 ] [ -3.838874463971771e-10 -4.748122513688737e-10 2.675851250579809e-10 ] [ 2.19752462479321e-10 1.991822770625319e-10 1.548615856366656e-10 ] [ -1.361696318724403e-10 3.383891551550228e-10 -2.583001911051207e-10 ] [ 8.358617915601813e-10 6.869747225424789e-10 -4.743319188179579e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 146.37343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.345160874523054e-17 } }