{ "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" [ [ 0.8658916 0.08441 -2.491506 ] [ 0.8055857 1.8141675 -0.3914669 ] [ 0.8240741 -0.1233835 0.7258489 ] [ 0.8499304 0.0287878 0.6089024 ] [ 0.4665366 -0.4904973 2.2478896 ] [ -0.2509709 -1.6528813 -1.249938 ] [ -2.4887028 0.4642931 -0.2633388 ] [ -1.0723447 -0.1248963 0.8136087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.387311277667105e-09 1.35239728561728e-10 -3.991832663782926e-09 ] [ 1.290690574590803e-09 2.906616754715184e-09 -6.271991149970516e-10 ] [ 1.320312256826801e-09 -1.976821590924768e-10 1.162938137813397e-09 ] [ 1.361738616187192e-09 4.612314012426624e-11 9.755691896290098e-10 ] [ 7.474740332675213e-10 -7.858633066255239e-10 3.601516163259464e-09 ] [ -4.020997084811347e-10 -2.648207775817511e-09 -2.00262144104951e-09 ] [ -3.987341442279498e-09 7.438795500187565e-10 -4.219152687095271e-10 ] [ -1.71808560777879e-09 -2.001059318844231e-10 1.303544837619481e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.093951038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.738752871142665e-18 } }