{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.336598 0.334353 0.571478 ] [ 0.002245 0.336598 0.428522 ] [ 0.665647 0.663402 0.071478 ] [ 0.665647 0.002245 0.571478 ] [ 0.002245 0.665647 0.928522 ] [ 0.663402 0.665647 0.428522 ] [ 0.997755 0.663402 0.571478 ] [ 0.334353 0.336598 0.928522 ] [ 0.334353 0.997755 0.428522 ] [ 0.663402 0.997755 0.928522 ] [ 0.997755 0.334353 0.071478 ] [ 0.336598 0.002245 0.071478 ] [ 0.823194 0 0.25 ] [ 0.513772 0.849154 0.215002 ] [ 0.176806 0 0.75 ] [ 0.150846 0.486228 0.715002 ] [ 0.664618 0.513772 0.784998 ] [ 0.849154 0.335382 0.784998 ] [ 0.486228 0.335382 0.284998 ] [ 0.664618 0.150846 0.284998 ] [ 0 0.176806 0.75 ] [ 0.513772 0.664618 0.715002 ] [ 0.333333 0.666667 0.463021 ] [ 0.849154 0.513772 0.284998 ] [ 0.150846 0.664618 0.215002 ] [ 0.335382 0.849154 0.715002 ] [ 0 0 0.5 ] [ 0.335382 0.486228 0.215002 ] [ 0.666667 0.333333 0.036979 ] [ 0.486228 0.150846 0.784998 ] [ 0.333333 0.666667 0.963021 ] [ 0 0.823194 0.25 ] [ 0.176806 0.176806 0.25 ] [ 0.823194 0.823194 0.75 ] [ 0.666667 0.333333 0.536979 ] [ 0 0 0 ] [ 0.817155 0.418796 0.429445 ] [ 0.251937 0.515213 0.852789 ] [ 0.263275 0.748063 0.852789 ] [ 0.150872 0.079614 0.614909 ] [ 0.736725 0.251937 0.147211 ] [ 0.581204 0.182845 0.929445 ] [ 0.522843 0 0.25 ] [ 0.477157 0 0.75 ] [ 0.39836 0.817155 0.570555 ] [ 0.079614 0.150872 0.885091 ] [ 0.849128 0.928742 0.885091 ] [ 0.251937 0.736725 0.352789 ] [ 0.885651 0.674034 0.331982 ] [ 0.60164 0.418796 0.929445 ] [ 0.885651 0.211617 0.831982 ] [ 0.418796 0.60164 0.570555 ] [ 0.515213 0.251937 0.647211 ] [ 0.920386 0.071258 0.614909 ] [ 0.211617 0.325966 0.168018 ] [ 0.114349 0.788383 0.168018 ] [ 0.928742 0.079614 0.114909 ] [ 0.736725 0.484787 0.647211 ] [ 0.748063 0.484787 0.147211 ] [ 0.788383 0.674034 0.831982 ] [ 0.325966 0.114349 0.831982 ] [ 0.60164 0.182845 0.429445 ] [ 0.071258 0.150872 0.385091 ] [ 0.182845 0.60164 0.070555 ] [ 0.418796 0.817155 0.070555 ] [ 0.325966 0.211617 0.331982 ] [ 0.114349 0.325966 0.668018 ] [ 0.477157 0.477157 0.25 ] [ 0.748063 0.263275 0.647211 ] [ 0.928742 0.849128 0.614909 ] [ 0.484787 0.736725 0.852789 ] [ 0.515213 0.263275 0.147211 ] [ 0.071258 0.920386 0.885091 ] [ 0.581204 0.39836 0.429445 ] [ 0.522843 0.522843 0.75 ] [ 0.849128 0.920386 0.385091 ] [ 0.817155 0.39836 0.929445 ] [ 0.39836 0.581204 0.070555 ] [ 0.211617 0.885651 0.668018 ] [ 0.484787 0.748063 0.352789 ] [ 0.150872 0.071258 0.114909 ] [ 0.674034 0.885651 0.168018 ] [ 0.920386 0.849128 0.114909 ] [ 0.788383 0.114349 0.331982 ] [ 0 0.477157 0.75 ] [ 0.674034 0.788383 0.668018 ] [ 0 0.522843 0.25 ] [ 0.182845 0.581204 0.570555 ] [ 0.079614 0.928742 0.385091 ] [ 0.263275 0.515213 0.352789 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 12.0355876611 "source-unit" "angstrom" } "c" { "source-value" 9.95752602 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.107707925777778 "source-unit" "eV" } }