{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9603904 -3.3394187 -2.3398446 ] [ -4.7260555 -6.3197561 6.5647425 ] [ -0.4220983 10.2004937 -5.4952257 ] [ 4.2925147 -0.8944763 -1.6069642 ] [ 2.0972411 2.4331006 4.0932784 ] [ -4.6495487 -1.7159399 4.4737737 ] [ 4.368337 -0.3640033 -5.6897599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.53871504572076e-09 -5.350338568202329e-09 -3.748844314425128e-09 ] [ -7.571975630703254e-09 -1.012536547257819e-08 1.051787695507215e-08 ] [ -6.762760279394246e-10 1.634299252675769e-08 -8.804322142559313e-09 ] [ 6.877366696780326e-09 -1.433109015719687e-09 -2.574640471702575e-09 ] [ 3.360150658600875e-09 3.898256897374452e-09 6.558154954905631e-09 ] [ -7.449398224411034e-09 -2.74923879047789e-09 7.167775628889913e-09 ] [ 6.99884741317561e-09 -5.831975771540486e-10 -9.116000289745346e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.197886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.794099115158363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9248974 1.0766885 1.7169319 ] [ 2.1052015 2.2744372 3.8662063 ] [ 2.7571027 3.6694993 1.8478417 ] [ 4.9984465 2.6037603 1.3475896 ] [ 4.3190246 2.3885411 5.1683346 ] [ 3.1642473 0.1209958 4.8252737 ] [ 5.034764 0.8814424 3.2123322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9248974e-10 1.0766885e-10 1.7169319e-10 ] [ 2.1052015e-10 2.2744372e-10 3.8662063e-10 ] [ 2.7571027e-10 3.6694993e-10 1.8478417e-10 ] [ 4.9984465e-10 2.6037603e-10 1.3475896e-10 ] [ 4.3190246e-10 2.3885411e-10 5.1683346e-10 ] [ 3.1642473e-10 1.209958e-11 4.825273700000001e-10 ] [ 5.034764e-10 8.814424e-11 3.2123322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 2.2e-06 1.1e-06 ] [ 3.1e-06 -9.2e-06 2.6e-06 ] [ 4.1e-06 -1e-07 2.8e-06 ] [ -4.6e-06 7e-07 -1e-05 ] [ -6.3e-06 -1.54e-05 -3.6e-06 ] [ 5.7e-06 2.06e-05 -4.7e-06 ] [ -6.6e-06 1.2e-06 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 3.52478856576e-15 1.76239428288e-15 ] [ 4.96674752448e-15 -1.474002491136e-14 4.16565921408e-15 ] [ 6.568924145279999e-15 -1.6021766208e-16 4.48609453824e-15 ] [ -7.370012455680001e-15 1.12152363456e-15 -1.6021766208e-14 ] [ -1.009371271104e-14 -2.467351996032e-14 -5.76783583488e-15 ] [ 9.13240673856e-15 3.300483838848e-14 -7.53023011776e-15 ] [ -1.057436569728e-14 1.92261194496e-15 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.090983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.578059676829025e-18 } }