{ "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" [ [ 1.461294 0.2644726 -3.3923963 ] [ 0.7389152 2.6555426 -0.6477449 ] [ 1.1802775 -0.1913804 0.8127179 ] [ 0.8920865 -0.0384348 0.6972217 ] [ 0.7660702 -0.8796082 2.8620042 ] [ -0.3721887 -2.4270135 -1.4098815 ] [ -2.8667636 0.8118379 -0.2198496 ] [ -1.7996912 -0.1954161 1.2979286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.341251082915315e-09 4.237318165621901e-10 -5.435218040348423e-09 ] [ 1.183872658193756e-09 4.254648269258447e-09 -1.037801735022434e-09 ] [ 1.891013016556272e-09 -3.066252025593523e-10 1.302117618685672e-09 ] [ 1.429280134031299e-09 -6.157933798512384e-11 1.117072307254432e-09 ] [ 1.22737976433158e-09 -1.40928769350397e-09 4.585436217871407e-09 ] [ -5.96312033665945e-10 -3.888504288065981e-09 -2.258879177398436e-09 ] [ -4.593061617280443e-09 1.300707703259368e-09 -3.522378892122317e-10 ] [ -2.883423165299497e-09 -3.130911067479149e-10 2.079510858387675e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.6491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.711615457256128e-18 } }