{ "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" [ 5.43385 0 0 ] "si-unit" "m" "si-value" [ 5.43385e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0231251 5.41563 0 ] "si-unit" "m" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0358168 0.0829392 5.41654 ] "si-unit" "m" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8474099 -2.3088044 0.1635886 ] [ 1.1988407 2.5578526 2.0392061 ] [ 1.8884343 -0.4415924 -0.6413755 ] [ -0.3619097 -0.2481131 -0.4982682 ] [ -0.3010274 0.5463151 -0.5430852 ] [ -3.8111528 2.4107608 -2.6039414 ] [ 0.2641551 -2.5159025 1.0605201 ] [ -0.7247502 -0.0005161 1.0233556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.959876950814466e-09 -3.699112431680172e-09 2.620978303494029e-10 ] [ 1.920754541603507e-09 4.098131635172494e-09 3.267168338412747e-09 ] [ 3.025605285376814e-09 -7.075090192029619e-10 -1.02759683125391e-09 ] [ -5.798432601807417e-10 -3.975210081342125e-10 -7.983136609280986e-10 ] [ -4.822990625002099e-10 8.752932808100141e-10 -8.701184105424922e-10 ] [ -6.106139914456458e-09 3.862464592101104e-09 -4.171974033013222e-09 ] [ 4.23223125485086e-10 -4.030920165712273e-09 1.699140510108478e-09 ] [ -1.161177826360124e-09 -8.268833539948801e-13 1.639596417084756e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.505961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.848899723403659e-18 } }