{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1854142999999997 -1.3445022999999998 4.709616399999999 ] [ -0.8506913999999999 -0.41447179999999995 0.47207039999999995 ] [ 1.1126310999999998 -4.002404499999999 -1.8259614999999998 ] [ 3.9620176999999996 -1.1783256999999998 1.4170508999999998 ] [ -1.8495569999999997 2.3227193999999995 0.32234229999999997 ] [ -4.063523399999999 3.9596293999999994 -1.2588160999999998 ] [ -0.6273926999999999 -0.7346463999999999 -1.2140679999999997 ] [ 0.13110149999999998 1.3920018999999997 -2.6222343999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.501419698221997e-09 -2.154130151671827e-09 7.54563728901626e-09 ] [ -1.362957872595621e-09 -6.640570279408934e-10 7.563401582517043e-10 ] [ 1.782631535994987e-09 -6.412558916884713e-09 -2.925512825780899e-09 ] [ 6.347852130135788e-09 -1.887885888227794e-09 2.270365822463599e-09 ] [ -2.963316984236985e-09 3.721406719358603e-09 5.164492969548998e-10 ] [ -6.510482189553726e-09 6.344025651712331e-09 -2.016845725306635e-09 ] [ -1.005193916000588e-09 -1.177033286634885e-09 -1.945151365661414e-09 ] [ 2.100477582518112e-10 2.230232900289179e-09 -4.201282649937515e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.0836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057529776069888e-18 } }