{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4558074 -14.3131992 1.7475493 ] [ -4.7084657 15.1378373 -5.9869035 ] [ -6.275195 -2.9369355 3.4611734 ] [ -0.5572709 0.2737194 0.3642873 ] [ -1.2962311 -0.8363463 1.8296557 ] [ 7.3813553 2.6749244 -1.4157621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.741167063867633e-09 -2.293227312709326e-08 2.799882632155406e-09 ] [ -7.543793664378706e-09 2.425348901153419e-08 -9.592076818685693e-09 ] [ -1.005397071996106e-08 -4.705489394897558e-09 5.545411102014846e-09 ] [ -8.928464074321748e-10 4.385468233394036e-10 5.836525953143557e-10 ] [ -2.076791163573867e-09 -1.339974488752583e-09 2.931431586653459e-09 ] [ 1.182623489147817e-08 4.285701336087468e-09 -2.268300937234712e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.366552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.102863683990748e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8037514 0.1241089 0.827417 ] [ 0.420999 2.5739341 0.7686858 ] [ 0.1540537 1.3277201 2.8964277 ] [ 2.4518354 0.4254438 2.656245 ] [ 2.7187811 1.6716572 0.5285031 ] [ 2.0690829 2.8752693 2.5975131 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.037514e-11 1.241089e-11 8.27417e-11 ] [ 4.20999e-11 2.5739341e-10 7.686858e-11 ] [ 1.540537e-11 1.3277201e-10 2.8964277e-10 ] [ 2.4518354e-10 4.254438e-11 2.656245e-10 ] [ 2.7187811e-10 1.6716572e-10 5.285031e-11 ] [ 2.0690829e-10 2.8752693e-10 2.5975131e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.24e-05 2.16e-05 1.52e-05 ] [ 1.6e-05 -1.69e-05 1.54e-05 ] [ 1.9e-05 6.1e-06 -1.91e-05 ] [ -1.47e-05 1.61e-05 -1.61e-05 ] [ -2.1e-05 -3.2e-06 1.73e-05 ] [ -1.18e-05 -2.39e-05 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.986699009792e-14 3.460701500928e-14 2.435308463616e-14 ] [ 2.56348259328e-14 -2.707678489152e-14 2.467351996032e-14 ] [ 3.04413557952e-14 9.77327738688e-15 -3.060157345728e-14 ] [ -2.355199632576e-14 2.579504359488e-14 -2.579504359488e-14 ] [ -3.36457090368e-14 -5.126965186560001e-15 2.771765553984e-14 ] [ -1.890568412544e-14 -3.829202123712e-14 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.549081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.413849350272549e-18 } }