{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.159162 -0.0888259 -1.8062723 ] [ 0.8467988 1.0597713 -0.2682132 ] [ 0.5352572 -0.0995086 0.5638668 ] [ 1.032659 0.3287256 0.507881 ] [ 0.3877491 -0.1714832 1.6688566 ] [ -0.0111061 -0.931904 -0.8339306 ] [ -2.4443392 0.1582177 -0.3574554 ] [ -0.5061807 -0.2549929 0.525267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.550056353197696e-10 -1.423147803015187e-10 -2.893967249858644e-09 ] [ 1.356721239881495e-09 1.697940800254823e-09 -4.297249184299545e-10 ] [ 8.575765719548697e-10 -1.594303524885389e-10 9.034142042053095e-10 ] [ 1.654502107058707e-09 5.266764709784525e-10 8.137150643485249e-10 ] [ 6.212425427562412e-10 -2.747463738999706e-10 2.673803027987777e-09 ] [ -1.779393376826688e-11 -1.493074801630003e-09 -1.336104110689717e-09 ] [ -3.916263119544976e-09 2.534926999367481e-10 -5.727066848587123e-10 ] [ -8.109908834401786e-10 -4.085436628499924e-10 8.415705070777537e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 647.36751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.03719708958751e-16 } }