{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.1715741 -11.9850124 0.5217736 ] [ -51.7645199 -3.2334107 -15.8190305 ] [ 14.5829393 -18.3669961 -18.8837765 ] [ 12.0104125 -7.2111887 17.567006 ] [ 25.1576014 18.0681833 -57.1537081 ] [ 17.1851408 22.7284246 73.7677355 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.75118945653548e-08 -1.92021066672781e-08 8.359734632706508e-10 ] [ -8.293590357071636e-08 -5.180495028984562e-09 -2.534488083082213e-08 ] [ 2.336444440900551e-08 -2.942717174574478e-08 -3.025514522071245e-08 ] [ 1.924280211366408e-08 -1.155359794331715e-08 2.814544631065333e-08 ] [ 4.030692079848535e-08 2.894842086358899e-08 -9.15703349098476e-08 ] [ 2.753363081491621e-08 3.64149505217356e-08 1.181889411874582e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 51.54247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.258014041228539e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3619014 0.0778641 2.0551077 ] [ 0.1086576 1.8798486 1.001207 ] [ 3.1380873 0.7887286 0.2778806 ] [ 2.428808 0.1620937 2.9404816 ] [ 2.9833879 3.2365447 0.0293846 ] [ 2.5987735 3.1839047 2.2098323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.619014e-11 7.78641e-12 2.0551077e-10 ] [ 1.086576e-11 1.8798486e-10 1.001207e-10 ] [ 3.1380873e-10 7.887286e-11 2.778806e-11 ] [ 2.428808e-10 1.620937e-11 2.9404816e-10 ] [ 2.9833879e-10 3.2365447e-10 2.93846e-12 ] [ 2.5987735e-10 3.1839047e-10 2.2098323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.0214018 0.1208599 0.6685157 ] [ -0.3289976 -1.630208 1.2312487 ] [ 1.2357227 2.0078462 -3.553152 ] [ -3.5570207 -0.5917679 2.6140364 ] [ 1.1576849 0.3479571 -0.9075772 ] [ 0.4712091 -0.2546872 -0.0530716 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.636466084403038e-09 1.936389061722259e-10 1.071080225177747e-09 ] [ -5.271122630193101e-10 -2.611881144641127e-09 1.972677881530393e-09 ] [ 1.979846019731852e-09 3.216924239802121e-09 -5.692777064548762e-09 ] [ -5.698975405241651e-09 -9.481166943199125e-10 4.188148006000197e-09 ] [ 1.854815681033186e-09 5.574887306613676e-10 -1.454098971411126e-09 ] [ 7.549602035282093e-10 -4.080538774570138e-10 -8.503007674844929e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.659147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.348654260427046e-18 } }