{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.35987840000000004 1.6920043000000005 -1.4400948000000002 ] [ 0.5514502000000001 0.18156450000000002 0.5344577000000001 ] [ 1.2219474000000001 1.4748079000000003 -2.7060830000000005 ] [ 1.0113181000000002 -0.22638300000000006 0.7367005000000001 ] [ -0.6272838000000001 -0.9091139000000003 -1.7998157000000004 ] [ -0.5487047000000002 -1.4104610000000002 2.8362054000000003 ] [ -1.6620267000000004 -0.7175511000000001 -1.1526268000000002 ] [ -0.30657900000000005 -0.08486780000000001 2.9912566000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.765887588109107e-10 2.71088973175307e-09 -2.307286220295652e-09 ] [ 8.835206179754843e-10 2.908983970672416e-10 8.562956317465404e-10 ] [ 1.957775556127346e-09 2.362902737551145e-09 -4.335622916544327e-09 ] [ 1.620310216011877e-09 -3.627055499465665e-10 1.180324317631671e-09 ] [ -1.005019438966583e-09 -1.45656103622431e-09 -2.883622636288787e-09 ] [ -8.791218420630781e-10 -2.259807638750189e-09 4.544101983666714e-09 ] [ -2.662860321885376e-09 -1.149643596649323e-09 -1.846711711467518e-09 ] [ -4.911937062282433e-10 -1.359732050187302e-10 4.792521391333697e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.229276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.804569899571054e-18 } }