{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.1290765 -70.8389348 8.3789822 ] [ 60.9527623 31.1631589 -4.2116078 ] [ -34.3123177 32.637157 13.2729261 ] [ 15.9537177 19.4668656 -25.7995549 ] [ -6.4650859 -12.4282467 8.3592544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.788516169939469e-08 -1.134964851789355e-07 1.342460938693935e-08 ] [ 9.765709073023963e-08 4.992888461985545e-08 -6.747739553138922e-09 ] [ -5.497439322440203e-08 5.229048991477907e-08 2.126557188702612e-08 ] [ 2.556067351378315e-08 3.118935694457576e-08 -4.133544368782608e-08 ] [ -1.035820948044373e-08 -1.991224630027475e-08 1.339300196699953e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 32.850856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.263287345646741e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1459116 0.0876715 2.5818123 ] [ 2.0240425 1.4320669 3.4121803 ] [ -0.0685456 2.5282988 2.7288574 ] [ 2.7197488 3.3675215 -0.0389873 ] [ 1.4464167 1.5604909 0.9619814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.459116e-11 8.76715e-12 2.5818123e-10 ] [ 2.0240425e-10 1.4320669e-10 3.412180300000001e-10 ] [ -6.85456e-12 2.5282988e-10 2.7288574e-10 ] [ 2.7197488e-10 3.3675215e-10 -3.89873e-12 ] [ 1.4464167e-10 1.5604909e-10 9.619814e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.47e-05 4.57e-05 -1.08e-05 ] [ -4.21e-05 2.71e-05 -4.51e-05 ] [ 4.65e-05 -2.73e-05 7e-07 ] [ -2.99e-05 -4.12e-05 6.15e-05 ] [ -9.2e-06 -4.3e-06 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.559552874176001e-14 7.321947157056e-14 -1.730350750464e-14 ] [ -6.745163573568001e-14 4.341898642368e-14 -7.225816559807999e-14 ] [ 7.45012128672e-14 -4.373942174784e-14 1.12152363456e-15 ] [ -4.790508096192e-14 -6.600967677696001e-14 9.853386217920001e-14 ] [ -1.474002491136e-14 -6.889359469440001e-15 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.217193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.117627761720142e-18 } }