{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7875848 -1.1192487 -2.013391 ] [ -0.1594923 2.7798551 1.2401874 ] [ 3.1551243 1.7852115 -1.7428327 ] [ 0.7816448 -3.4385071 1.1418995 ] [ 0.3225181 -0.1209735 4.3896861 ] [ -3.2708356 1.2743725 -2.0401351 ] [ -0.0413744 -1.1607098 -0.9754142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.261849953457444e-09 -1.793234100000793e-09 -3.225807988729133e-09 ] [ -2.555348342576199e-10 4.453818850431646e-09 1.986999257690738e-09 ] [ 5.055066389177966e-09 2.860224128483299e-09 -2.79232580590574e-09 ] [ 1.252333024329892e-09 -5.509095686074807e-09 1.82952468220321e-09 ] [ 5.167309596048365e-10 -1.938209134363488e-10 7.03305244207073e-09 ] [ -5.24045632880034e-09 2.041769825690448e-09 -3.26865676049347e-09 ] [ -6.628909637962752e-11 -1.859662105093444e-09 -1.562785826836335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.930399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.67385491834157e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7949026 2.1760043 1.6899883 ] [ 2.2254622 2.4165873 4.0202632 ] [ 2.3449532 4.0941924 0.3527761 ] [ 2.8895051 4.4432192 2.8243365 ] [ 4.5731996 2.5982098 3.2683218 ] [ 4.5835447 3.8044859 1.1809654 ] [ 3.7973856 3.8521141 5.1380498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7949026e-10 2.1760043e-10 1.6899883e-10 ] [ 2.2254622e-10 2.416587300000001e-10 4.0202632e-10 ] [ 2.3449532e-10 4.0941924e-10 3.527761e-11 ] [ 2.8895051e-10 4.4432192e-10 2.8243365e-10 ] [ 4.5731996e-10 2.5982098e-10 3.2683218e-10 ] [ 4.5835447e-10 3.8044859e-10 1.1809654e-10 ] [ 3.7973856e-10 3.8521141e-10 5.1380498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.05e-05 -3.85e-05 5.16e-05 ] [ -1.29e-05 9.6e-06 -7.4e-05 ] [ -2.94e-05 3.18e-05 -2.4e-06 ] [ -8.4e-06 -2.41e-05 -1.1e-06 ] [ -3.19e-05 4.8e-06 3.52e-05 ] [ 2.63e-05 1.02e-05 -4.7e-05 ] [ 3.58e-05 6.3e-06 3.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.28446207264e-14 -6.16837999008e-14 8.267231363328e-14 ] [ -2.066807840832e-14 1.538089555968e-14 -1.185610699392e-13 ] [ -4.710399265152e-14 5.094921654144e-14 -3.84522388992e-15 ] [ -1.345828361472e-14 -3.861245656128e-14 -1.76239428288e-15 ] [ -5.110943420352001e-14 7.69044777984e-15 5.639661705216e-14 ] [ 4.213724512704e-14 1.634220153216e-14 -7.530230117759999e-14 ] [ 5.735792302464001e-14 1.009371271104e-14 6.040205860416e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.889965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.628682649873028e-18 } }