{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3687312 0.4572884 -0.2487729 ] [ -0.4378427 1.0296174 -0.9583979 ] [ 0.0660003 -0.0203928 0.6441744 ] [ 0.1300456 -0.4128701 -0.4440277 ] [ 0.5636264 0.4777071 2.6166262 ] [ -1.1397849 0.301625 -0.6511333 ] [ -0.4872947 -0.8559852 -0.9423131 ] [ 0.9365189 -0.9769898 -0.0161557 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.90772507999529e-10 7.326567834430387e-10 -3.985781242686163e-10 ] [ -7.015013375279482e-10 1.649628926648882e-09 -1.535522708803816e-09 ] [ 1.057441376257862e-10 -3.267286739265024e-11 1.032081163397868e-09 ] [ 2.083560199579085e-10 -6.614908216473581e-10 -7.114107999275962e-10 ] [ 9.030290409456692e-10 7.653711472101677e-10 4.192297323012745e-09 ] [ -1.826136719520866e-09 4.832565232488e-10 -1.043230550284353e-09 ] [ -7.807321757797499e-10 -1.371439475190812e-09 -1.509752018293572e-09 ] [ 1.500468686517333e-09 -1.565310216320068e-09 -2.588428483265856e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.480498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.844820101074116e-18 } }