{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.514095 -1.3421897 0.5908973 ] [ 0.1758864 0.010952 -1.2172462 ] [ 2.9094117 -0.4140833 -0.5106014 ] [ 2.5990871 3.784968 0.4847801 ] [ -3.4478161 -0.7535285 -1.7658565 ] [ -2.493155 -1.5640521 2.1325842 ] [ 0.770681 0.2779336 0.2854427 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.23670989870176e-10 -2.150424958018566e-09 9.467218393538437e-10 ] [ 2.818010779966771e-10 1.75470383510016e-11 -1.950243403397641e-09 ] [ 4.661391406021983e-09 -6.634345823237127e-10 -8.180736256277492e-10 ] [ 4.164196587042872e-09 6.064187240076135e-09 7.767033424490861e-10 ] [ -5.524010348237835e-09 -1.207285745806493e-09 -2.829213999987715e-09 ] [ -3.994474653030624e-09 -2.505887708333144e-09 3.416776547127472e-09 ] [ 1.234767080294765e-09 4.452987160547789e-10 4.573296205180281e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.753661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.524014734620875e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1166262 2.541762 4.6690919 ] [ 2.5629155 3.1890077 2.5233057 ] [ 5.3781692 1.7031849 2.2366176 ] [ 4.71238 3.7615545 3.0472217 ] [ 3.1785081 1.0732763 1.9173165 ] [ 2.5279386 0.363813 4.017475 ] [ 4.2121905 3.3156285 5.2581495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1166262e-10 2.541762e-10 4.6690919e-10 ] [ 2.5629155e-10 3.1890077e-10 2.5233057e-10 ] [ 5.3781692e-10 1.7031849e-10 2.2366176e-10 ] [ 4.71238e-10 3.7615545e-10 3.0472217e-10 ] [ 3.1785081e-10 1.0732763e-10 1.9173165e-10 ] [ 2.5279386e-10 3.63813e-11 4.017475e-10 ] [ 4.2121905e-10 3.3156285e-10 5.2581495e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 2e-06 2.5e-06 ] [ 8e-06 -8e-07 6.6e-06 ] [ -2.7e-06 0.0 -1.38e-05 ] [ 5.1e-06 7e-07 4.7e-06 ] [ 2.1e-06 -6.3e-06 -4e-07 ] [ -3.4e-06 -4.1e-06 -1.1e-06 ] [ -9e-06 8.5e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 3.2043532416e-15 4.005441552e-15 ] [ 1.28174129664e-14 -1.28174129664e-15 1.057436569728e-14 ] [ -4.32587687616e-15 0.0 -2.211003736704e-14 ] [ 8.17110076608e-15 1.12152363456e-15 7.53023011776e-15 ] [ 3.36457090368e-15 -1.009371271104e-14 -6.408706483200001e-16 ] [ -5.44740051072e-15 -6.568924145279999e-15 -1.76239428288e-15 ] [ -1.44195895872e-14 1.36185012768e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }