{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.040319 0.959681 0.459681 ] [ 0.181084 0.681084 0.818916 ] [ 0.318916 0.318916 0.318916 ] [ 0.459681 0.040319 0.959681 ] [ 0.540319 0.540319 0.540319 ] [ 0.681084 0.818916 0.181084 ] [ 0.818916 0.181084 0.681084 ] [ 0.959681 0.459681 0.040319 ] [ 0.163745 0.336255 0.663745 ] [ 0.336255 0.663745 0.163745 ] [ 0.663745 0.163745 0.336255 ] [ 0.836255 0.836255 0.836255 ] [ 0.108082 0.108082 0.108082 ] [ 0.391918 0.891918 0.608082 ] [ 0.608082 0.391918 0.891918 ] [ 0.891918 0.608082 0.391918 ] [ 0.021375 0.796072 0.127991 ] [ 0.127991 0.021375 0.796072 ] [ 0.203928 0.627991 0.478625 ] [ 0.296072 0.372009 0.978625 ] [ 0.372009 0.978625 0.296072 ] [ 0.478625 0.203928 0.627991 ] [ 0.521375 0.703928 0.872009 ] [ 0.627991 0.478625 0.203928 ] [ 0.703928 0.872009 0.521375 ] [ 0.796072 0.127991 0.021375 ] [ 0.872009 0.521375 0.703928 ] [ 0.978625 0.296072 0.372009 ] [ 0.009795 0.446214 0.72825 ] [ 0.017243 0.945924 0.170645 ] [ 0.049709 0.204343 0.268343 ] [ 0.053786 0.27175 0.509795 ] [ 0.054076 0.670645 0.482757 ] [ 0.102377 0.170631 0.749833 ] [ 0.170645 0.017243 0.945924 ] [ 0.170631 0.749833 0.102377 ] [ 0.204343 0.268343 0.049709 ] [ 0.22825 0.490205 0.553786 ] [ 0.231657 0.950291 0.704343 ] [ 0.249833 0.397623 0.829369 ] [ 0.250167 0.602377 0.329369 ] [ 0.268343 0.049709 0.204343 ] [ 0.27175 0.509795 0.053786 ] [ 0.295657 0.731657 0.549709 ] [ 0.329369 0.250167 0.602377 ] [ 0.329355 0.982757 0.445924 ] [ 0.397623 0.829369 0.249833 ] [ 0.445924 0.329355 0.982757 ] [ 0.446214 0.72825 0.009795 ] [ 0.450291 0.795657 0.768343 ] [ 0.482757 0.054076 0.670645 ] [ 0.490205 0.553786 0.22825 ] [ 0.509795 0.053786 0.27175 ] [ 0.517243 0.554076 0.829355 ] [ 0.549709 0.295657 0.731657 ] [ 0.553786 0.22825 0.490205 ] [ 0.554076 0.829355 0.517243 ] [ 0.602377 0.329369 0.250167 ] [ 0.670645 0.482757 0.054076 ] [ 0.670631 0.750167 0.897623 ] [ 0.704343 0.231657 0.950291 ] [ 0.72825 0.009795 0.446214 ] [ 0.731657 0.549709 0.295657 ] [ 0.749833 0.102377 0.170631 ] [ 0.750167 0.897623 0.670631 ] [ 0.768343 0.450291 0.795657 ] [ 0.77175 0.990205 0.946214 ] [ 0.795657 0.768343 0.450291 ] [ 0.829369 0.249833 0.397623 ] [ 0.829355 0.517243 0.554076 ] [ 0.897623 0.670631 0.750167 ] [ 0.945924 0.170645 0.017243 ] [ 0.946214 0.77175 0.990205 ] [ 0.950291 0.704343 0.231657 ] [ 0.982757 0.445924 0.329355 ] [ 0.990205 0.946214 0.77175 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ti" "Ti" "Ti" "Ti" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.84358699 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2618335818421045 "source-unit" "eV" } }