{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.30636e-10 0.0 0.0 ] "source-value" [ 5.30636 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] "source-value" [ -0.0781877 5.44815 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] "source-value" [ -0.00200818 -0.0968672 5.44923 ] } "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" [ [ 2.70151010916192e-11 3.487283213243693e-10 -1.973192660878656e-10 ] [ 1.281196556588928e-10 -7.34421741208512e-12 -1.841926330336512e-11 ] [ 2.146046689966906e-10 2.216893337962061e-10 -4.087907184849197e-10 ] [ 2.672377731665914e-10 -2.51950284503904e-11 -5.92532979670464e-12 ] [ -1.015610146865395e-10 -2.567321408463437e-10 -2.45096974008432e-10 ] [ -1.020963018955488e-10 -1.809916443629549e-10 3.548382218677901e-10 ] [ -3.976169785137984e-10 -1.675947241128115e-10 5.566778690735809e-11 ] [ -3.570274360024511e-11 6.744026028167233e-11 4.650455429061388e-10 ] ] "source-value" [ [ 0.016861500000000005 0.21765910000000005 -0.12315700000000003 ] [ 0.07996600000000001 -0.004583900000000001 -0.011496400000000002 ] [ 0.13394570000000003 0.13836760000000004 -0.25514710000000007 ] [ 0.16679670000000002 -0.015725500000000003 -0.0036983000000000007 ] [ -0.06338940000000001 -0.16023960000000004 -0.15297750000000002 ] [ -0.06372350000000002 -0.11296610000000003 0.22147260000000005 ] [ -0.24817300000000006 -0.10460440000000003 0.03474510000000001 ] [ -0.022283900000000002 0.04209290000000001 0.29025860000000003 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.015818829804201e-18 "source-value" 31.306279 } }