{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5542422 8.4257844 -4.855608 ] [ 6.8465554 -3.0013849 -3.1561062 ] [ 31.5399011 22.3994748 -20.7929869 ] [ 3.0993482 -2.1574931 -7.6550077 ] [ -2.938087 -0.6551424 -11.3724309 ] [ -19.8882766 -23.1731702 16.174636 ] [ -11.5214822 4.4321544 18.3760997 ] [ -9.6922012 -6.270223 13.2814041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.092347136700758e-09 1.349959477758136e-08 -7.779541617369447e-09 ] [ 1.096939099489199e-08 -4.808748716802146e-09 -5.056639566401929e-09 ] [ 5.053249216476421e-08 3.588791484275876e-08 -3.331403748778066e-08 ] [ 4.965703225758562e-09 -3.456685004357317e-09 -1.226467436898398e-08 ] [ -4.707334301276409e-09 -1.049653836574802e-09 -1.82206429096435e-08 ] [ -3.186453179652372e-08 -3.712751152425926e-08 2.591462364915003e-08 ] [ -1.845944941780335e-08 7.101094159455851e-09 2.94417573208299e-08 ] [ -1.55286181667297e-08 -1.004600469780244e-08 2.127915514041727e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5632041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.311058924958706e-19 } }