{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -7.838685967326279e-10 5.621352030793497e-10 2.140053267663817e-09 ] [ -1.185472431549625e-09 -3.558315713726861e-10 5.363560210330157e-10 ] [ -5.710184713533754e-10 -2.010476913021293e-10 -6.50257320488281e-10 ] [ 1.693873995338247e-09 7.805580191810688e-11 2.463218380350336e-11 ] [ -2.296797731265247e-09 -4.452549766330311e-10 -1.003938290182867e-10 ] [ 2.023785713557292e-09 -6.262922830296788e-10 3.068703355823347e-10 ] [ -5.674124524329409e-10 4.096400323116058e-10 -1.913950257712631e-09 ] [ 1.686909974438277e-09 5.785956452461248e-10 -3.4331024064581e-10 ] ] "source-value" [ [ -0.4892523000000001 0.35085720000000004 1.3357162000000002 ] [ -0.7399137000000001 -0.22209260000000006 0.33476710000000004 ] [ -0.35640170000000004 -0.12548410000000002 -0.4058587000000001 ] [ 1.0572330000000003 0.048718600000000015 0.015374200000000003 ] [ -1.4335484000000003 -0.27790630000000005 -0.06266090000000002 ] [ 1.2631477000000002 -0.3909009000000001 0.19153340000000005 ] [ -0.35415100000000005 0.25567720000000005 -1.1945938000000003 ] [ 1.0528864000000002 0.36113100000000004 -0.21427740000000006 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.924311933897446e-18 "source-value" -36.976647 } }