{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 39.9382663 45.3051774 36.6489278 ] [ 98.0343562 -6.8721132 10.185306 ] [ 24.6130846 42.3004289 -61.2384572 ] [ -12.5614524 -9.4914431 41.3887553 ] [ -20.3878181 -9.862927 -42.9485423 ] [ -87.5502424 41.6278344 26.2877536 ] [ -42.0861943 -103.0069574 -10.3237432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.398815706832964e-08 7.258689662950486e-08 5.871805578231302e-08 ] [ 1.57068354832873e-07 -1.101033919524297e-08 1.631865928334e-08 ] [ 3.943450903678523e-08 6.77727587917583e-08 -9.811482522804907e-08 ] [ -2.012566552438322e-08 -1.520696835776052e-08 6.631209665200365e-08 ] [ -3.266488577806227e-08 -1.580215118224772e-08 -6.881115093742061e-08 ] [ -1.402709526743161e-07 6.66951435997014e-08 4.211762457826937e-08 ] [ -6.742951712144398e-08 -1.650353402857134e-07 -1.654046013045639e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.894586723632834 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.706811208969114e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 39.9382663 45.3051774 36.6489278 ] [ 98.0343562 -6.8721132 10.185306 ] [ 24.6130846 42.3004289 -61.2384572 ] [ -12.5614524 -9.4914431 41.3887553 ] [ -20.3878181 -9.862927 -42.9485423 ] [ -87.5502424 41.6278344 26.2877536 ] [ -42.0861943 -103.0069574 -10.3237432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.398815706832964e-08 7.258689662950486e-08 5.871805578231302e-08 ] [ 1.57068354832873e-07 -1.101033919524297e-08 1.631865928334e-08 ] [ 3.943450903678523e-08 6.77727587917583e-08 -9.811482522804907e-08 ] [ -2.012566552438322e-08 -1.520696835776052e-08 6.631209665200365e-08 ] [ -3.266488577806227e-08 -1.580215118224772e-08 -6.881115093742061e-08 ] [ -1.402709526743161e-07 6.66951435997014e-08 4.211762457826937e-08 ] [ -6.742951712144398e-08 -1.650353402857134e-07 -1.654046013045639e-08 ] ] } "relaxed-potential-energy" { "source-value" 16.894586723632834 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.706811208969114e-18 } }